SCHEMBL4070163

SCHEMBL4070163

O=C(OCc1ccccc1COC(=O)c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.70
KMT2A Q03164 3/20 0.66
MEN1 O00255 1/20 0.66
ESR1 P03372 4/20 0.60
ESR2 Q92731 2/20 0.60
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA7 P43166 1/20 0.60
CA9 Q16790 1/20 0.60
CA14 Q9ULX7 1/20 0.60
PPARG P37231 1/20 0.57
SLC6A2 P23975 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
TSHR P16473 2/20 0.56
ALDH1A1 P00352 2/20 0.56
CHRM1 P11229 1/20 0.56
KDR P35968 1/20 0.56
SLC6A3 Q01959 1/20 0.55
MAPK1 P28482 2/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9770191 0.93 ESR1 (0.62) LMNAKMT2AMEN1ESR1ESR2
SCHEMBL13870650 0.90 PTPRC (0.59) LMNAKMT2AMEN1ESR1ESR2
SCHEMBL3628980 0.88 ESR1 (0.61) LMNAKMT2AMEN1ESR1ESR2
SCHEMBL831262 0.88 MAPT (0.68) LMNAKMT2AMEN1ESR1ESR2
SCHEMBL5085480 0.88 PPARG (0.71) LMNAKMT2APPARGSLC6A2TDP1
SCHEMBL27841681 0.86 PPARG (0.60) LMNAKMT2AMEN1ESR1ESR2
SCHEMBL9271624 0.85 LMNA (0.57) LMNAKMT2AMEN1ESR1ESR2
SCHEMBL9770428 0.85 LMNA (0.61) LMNAKMT2AMEN1ESR1ESR2
SCHEMBL30275451 0.85 PPARG (0.59) LMNAKMT2AMEN1ESR1ESR2
SCHEMBL6393257 0.84 LMNA (0.58) LMNAKMT2AMEN1ESR1ESR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517397-B2 Heat sensitive recording material CIBA SPECIALTY CHEMICALS CORP. (US) 2009-04-14 US disclosed
US-7517397-B2 Heat sensitive recording material CIBA SPECIALTY CHEMICALS CORP. (US) 2009-04-14 US disclosed
US-7517397-B2 Heat sensitive recording material CIBA SPECIALTY CHEMICALS CORP. (US) 2009-04-14 US disclosed
US-20060240981-A1 Heat sensitive recording material CIBA SPECIALTY CHEMICALS CORP. 2006-10-26 US disclosed
EP-1622858-A2 HEAT SENSITIVE RECORDING MATERIAL Ciba SC Holding AG (CH) 2006-02-08 EP disclosed
WO-2004099116-A2 HEAT SENSITIVE RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-11-18 WO disclosed